Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C(=O)NC(CNC(=O)COC2CC(C(N)C3=CC=CC=N3)N(C2)C(=O)CC(C)(S(C)(=O)=O)S(C)(=O)=O)C(O)=O)C(C)=C1

InChIKey

InChIKey=JVBGFSGZNYZYBQ-UHFFFAOYSA-N

Formula

C31H43N5O10S2

Mass

709.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Alpha-amino acid or derivatives - N-acylpyrrolidine - Benzoyl - Dithioketal - Aralkylamine - Pyridine - Heteroaromatic compound - Pyrrolidine - Sulfone - Sulfonyl - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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